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1382106-10-6 | Benzoic acid, 2-chloro-6-fluoro-, sodium salt (1:1)
CAS No: 1382106-10-6 Catalog No: AG0018AN MDL No:
Product Description
Catalog Number:
AG0018AN
Chemical Name:
Benzoic acid, 2-chloro-6-fluoro-, sodium salt (1:1)
CAS Number:
1382106-10-6
Molecular Formula:
C7H3ClFNaO2
Molecular Weight:
196.5387
IUPAC Name:
sodium;2-chloro-6-fluorobenzoate
InChI:
InChI=1S/C7H4ClFO2.Na/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChI Key:
ZNOVDLVECZLRQV-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1c(F)cccc1Cl.[Na+]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.537g/mol
Monoisotopic Mass:
195.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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